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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
Toddacoumaquinone
406.40
3.6
0
7
92.04
4
Longikaurin B
406.50
0.6
3
7
113.29
3
Bidwillon B
406.50
5.2
2
5
75.99
3
Bornylene
136.23
3.6
0
0
0
0
Brachystamide B
411.60
7.9
1
3
47.56
14
Macarangin
422.50
6.3
4
6
111.13
6
(+)-Tephropurpurin
424.40
4
1
7
91.29
6
(1S,14R,22R)-14,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
426.40
2.5
2
8
103.68
2
Mangostanol
426.50
4.7
3
7
109.36
3
Epipachysamine E
428.70
7.3
1
2
32.34
4
(2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran
432.50
4.3
0
7
64.61
8
2-[3,4-Dihydroxy-5-(3-methyl-but-2-enyl)-phenyl]-8-(1,1-dimethyl-allyl)-3,5,7-trihydroxy-chromen-4-one
438.50
6
5
7
131.36
5
DL-2-Bornanol
154.25
2.7
1
1
20.23
0
Diphyllin
380.30
3.6
1
7
83.45
3
Epiyangambin
446.50
2.9
0
8
73.84
8
(1S,4R,6S,7E,11R,12S)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,6.013,18]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde
454.60
6.6
2
5
83.83
4
Phosphoenolpyruvate
168.04
-1.1
3
6
113.87
3
Camphor, (1S,4S)-(-)-
152.23
2.2
0
1
17.07
0
4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
470.50
5
6
7
130.61
4
(1S,2S,7S,8R,11S,14S,15R,18R,20R)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
470.70
6.3
2
4
66.76
1
4-[[(Z)-3-carboxyprop-2-enoyl]oxymethyl]-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
472.40
2.5
4
12
193.96
7
Mallotophilippen C
474.60
7.9
3
5
86.99
8
Methyl 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate
484.30
1.5
7
13
228.33
3
Vaganine D
484.70
6
1
4
58.64
6
CID 10051197
488.70
5
4
5
97.99
2
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